| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:18 UTC |
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| Update Date | 2025-03-21 18:05:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055764 |
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| Frequency | 57.3 |
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| Structure | |
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| Chemical Formula | C12H16O2 |
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| Molecular Mass | 192.115 |
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| SMILES | CC(C)(CCC(=O)O)c1ccccc1 |
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| InChI Key | VXBYMGKKKVYYCQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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